Research/Sitter/MAGNDATA / 0.802_CuFeS2.mcif

CuFeS₂

MAGNDATA entry 0.802 · source

g-wave altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. g-wave: 4 nodal planes.

Spin group ¹4/¹m²m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 823 K (550 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	I 4 2 d BNS 122.333
Point group	42m
Parent space group	I 4 2 d No. 122
Spins	collinear · 4 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.289 · b 5.289 · c 10.423 Å · α 90° · β 90° · γ 90°
Transition	823 K (550 °C)
Measured at	293 K
Magnetic ions	Fe
Largest moment component	3.85 μ_B
Method	NPD and NSD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in I 4 2 d →

Atom sites · 3 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0	0	0
Fe1	Fe	0	0	0.5	0	0	3.85	3.85
S1	S	0.2574	0.25	0.125

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

G. Donnay et al. Phys. Rev. (1958) · doi:10.1103/PhysRev.112.1917

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.802_CuFeS2.mcif from MAGNDATA · entry page

sha256 of this copy: 13457b5432fd623ac11c852ef7cad2ca4ff3ee33c2ae38be80395eb984afcb46
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.802_CuFeS2.mcif.